Spontaneous Curling Research Articles

Unveiling the Mechanism of Spontaneous Nanoscroll Formation from Janus Transition Metal Dichalcogenide Nanoribbons.

Due to the atomic asymmetry, Janus transition metal dichalcogenide monolayers possess spontaneous curling and can even form one-dimensional nanoscrolls. Unveiling this spontaneous formation mechanism of nanoscrolls is of great importance for precise structural control. In this paper, we successfully simulate the process of Janus MoSSe nanoscroll formation from flat nanoribbons, based on molecular dynamics (MD) simulations with hybrid potentials. The spontaneous scrolling is purely driven by the relaxation of intrinsic strain in Janus MoSSe. The final structure of nanoscroll is strongly affected by the length of nanoribbon with a nonmonotonous relation. To further understand the mechanism, we establish a thermodynamic model to determine the inner radius of MoSSe nanoscrolls, which is shown to be related to spontaneous curvature, bending stiffness, interlayer van der Waals interaction, interlayer distance, and length of initial nanoribbon. The results correspond well with MD simulations of nanoscrolls from flat nanoribbons and the molecular static simulations of directly built nanoscrolls. Moreover, the inner radii of MoSeTe and MoSTe nanoscrolls are predicted based on the model. Our results provide insights into the Janus TMD nanoscroll formation and a pathway for controllable fabrication of nanoscrolls.

Prediction of photogalvanic effect enhancement in Janus transition metal dichalcogenide monolayers induced by spontaneous curling

Enhancement of photogalvanic effect (PGE) in two-dimensional materials is of great importance for nanoscale self-powered optoelectronic devices. In this paper, we systematically investigate the generation of PGE photocurrent in six Janus transition metal dichalcogenides (MXY, M = Mo,W, X,Y = S,Se,Te) based on the quantum transport simulations. The proposed photodetectors along zigzag and armchair directions with non-collinear electrodes are built based on spontaneous curvatures of Janus TMDs. The spontaneous curling is induced by the relaxation of intrinsic strain in Janus TMDs and the curvatures are determined by molecular simulations. Vertically illuminated by linearly polarized light, PGE photocurrents can be observed in Janus TMDs with both curled and planar structure. The influences of polarization angle and photon energy on the photocurrents are quantitatively demonstrated. The photocurrents are largely amplified by more than 1 order of magnitude on average in the curled photodetector. This enhancement can be attributed to the device symmetry reduction from the C3v to Cs symmetry. We expect the results can help develop recipes for flexible two-dimensional optoelectronic devices.

Spontaneous formation of MoS2 nanoscrolls from flat monolayers with sulfur vacancies: a molecular dynamics investigation.

The unique physical properties exhibited by one-dimensional nanoscrolls assembled from nanosheets have propelled them into the spotlight of two-dimensional materials research. However, the self-scrolling mechanism of transition metal dichalcogenides has not been unveiled with an appropriate theoretical approach. In this paper, we systematically investigate the spontaneous formation of MoS2 nanoscrolls from flat monolayers by molecular dynamics simulations based on a reactive force field. The sulfur vacancies on one side break the atomic symmetry and the reconstruction acts as the driving force for the curling of the flat nanoribbon. If sulfur vacancies are arranged in a line, clear bending angles of the nanoribbon can be obtained and the angle relies on the direction of the line vacancy. With random sulfur vacancies on the top, spontaneous curling and a time-dependent scrolling process of the nanoribbon can be observed. The interplay between dangling bonds and van der Waals (vdW) interactions plays a pivotal role in the formation process of MoS2 nanoscrolls. With an increasing density of sulfur vacancies, the curvature of the nanoscrolls increases. Meanwhile, the scrolling rate accelerates and the time required for the formation of vdW structures decreases. These results provide theoretical insights into the fabrication of nanoscrolls and pave avenues for tailoring nanoscrolls with different morphologies.

Spiromesifen conferred abnormal development in zebrafish embryos by inducing embryonic cytotoxicity via causing oxidative stress

Spiromesifen (SPF) is widely used in agriculture to protect against herbivorous mites, whose residues may be harmful to the environment. However, the toxicity assessment of SPF is insufficient. Here, we investigated the toxicological effects of SPF using zebrafish embryos as an animal model. The results showed that SPF exposure solutions at 10, 20, 30, and 40 μM caused cytotoxicity in zebrafish embryos such as reactive oxygen species (ROS) accumulation, mitochondrial membrane potential decrease, cell division arrest, and apoptosis, which further led to developmental toxicity in zebrafish embryos including delayed hatching, decreased survival rate and spontaneous curling rate, and severe morphological deformities. SPF also induced apoptosis via changes in the expressions of apoptosis-related marker genes, caused immunotoxicity by reducing the number of macrophages and the activity of AKP/ALP and increasing inflammatory factors, and disturbed endogenous antioxidant systems via changes SOD, CAT, and GST activities as well as MDA and GSH contents. Therefore, the potential mechanism that caused embryonic developmental toxicity appeared to be related to the generation of oxidative stress by an elevation in ROS and changes in apoptosis-, immune-, antioxidant-related markers. The antioxidant system and inflammatory response simultaneously participated in and resisted the threat of SPF to prevent tissue damage. Taken together, spiromesifen induced oxidative stress to contribute to developmental toxicity in zebrafish embryos by inducing embryonic cytotoxicity. Our study provides new insight into the toxicity assessment of SPF to non-target organisms.

Armchair Janus MoSSe Nanoribbon with Spontaneous Curling: A First-Principles Study.

Based on density functional theory, we theoretically investigate the electronic structures of free-standing armchair Janus MoSSe nanoribbons (A-MoSSeNR) with width up to 25.5 nm. The equilibrium structures of nanoribbons with spontaneous curling are obtained by energy minimization in molecular dynamics (MD). The curvature is 0.178 nm−1 regardless of nanoribbon width. Both finite element method and analytical solution based on continuum theory provide qualitatively consistent results for the curling behavior, reflecting that relaxation of intrinsic strain induced by the atomic asymmetry acts as the driving force. The non-edge bandgap of curled A-MoSSeNR reduces faster with the increase of width compared with planar nanoribbons. It can be observed that the real-space wave function at the non-edge VBM is localized in the central region of the curled nanoribbon. When the curvature is larger than 1.0 nm−1, both edge bandgap and non-edge bandgap shrink with the further increase of curvature. Moreover, we explore the spontaneous curling and consequent sewing process of nanoribbon to form nanotube (Z-MoSSeNT) by MD simulations. The spontaneously formed Z-MoSSeNT with 5.6 nm radius possesses the lowest energy. When radius is smaller than 0.9 nm, the bandgap of Z-MoSSeNT drops rapidly as the radius decreases. We expect the theoretical results can help build the foundation for novel nanoscale devices based on Janus TMD nanoribbons.

Cation Doping Approach for Nanotubular Hydrosilicates Curvature Control and Related Applications

The past two decades have been marked by an increased interest in the synthesis and the properties of geoinspired hydrosilicate nanoscrolls and nanotubes. The present review considers three main representatives of this group: halloysite, imogolite and chrysotile. These hydrosilicates have the ability of spontaneous curling (scrolling) due to a number of crystal structure features, including the size and chemical composition differences between the sheets, (or the void in the gibbsite sheet and SiO2 tetrahedron, in the case of imogolite). Mineral nanoscrolls and nanotubes consist of the most abundant elements, like magnesium, aluminium and silicon, accompanied by uncontrollable amounts of impurities (other elements and phases), which hinder their high technology applications. The development of a synthetic approach makes it possible to not only to overcome the purity issues, but also to enhance the chemical composition of the nanotubular particles by controllable cation doping. The first part of the review covers some principles of the cation doping approach and proposes joint criteria for the semiquantitative prediction of morphological changes that occur. The second part focuses on some doping-related properties and applications, such as morphological control, uptake and release, magnetic and mechanical properties, and catalysis.

Intrinsic-strain-induced curling of free-standing two-dimensional Janus MoSSe quantum dots

Motivated by the fascinating properties of both two-dimensional transition metal dichalcogenide quantum dots (TMD QDs) and Janus TMD monolayers, we theoretically explore the equilibrium structures of free-standing Janus MoSSe QDs in which atomic asymmetry of chalcogen is introduced. Two distinct types of spontaneous curling are observed by molecular dynamics simulations, and the curling behavior depends on the size of QD. The bowl-like (tube-like) curling occurs in relatively small (large) MoSSe QDs with different shapes (hexagon and triangle) and edge types (zigzag and armchair). The transition between these two curling types occurs at the sizes of around 10 nm and 13 nm for hexagonal and triangular shapes, respectively. By applying equivalent misfit strains into two adjacent sublayers, finite element analysis reproduces similar curling behavior. This confirms the relaxation of intrinsic strain in Janus structure acting as the predominant driving force of spontaneous curling. In addition, the curvatures of Janus TMD QDs increase from MoSSe to MoSeTe to MoSTe, indicating the positive correlation between the curling and misfit.

Dual-Stimulus Smart Actuator and Robot Hand Based on a Vapor-Responsive PDMS Film and Triboelectric Nanogenerator

Intelligent actuating materials with vapor-stimulated mechanical response usually require complicated synthesizing processes or have a high cost. Here, we found that the UV/O3-modified poly(dimethylsiloxane) PDMS) film can show spontaneous curling deformation when it encounters small alcohol molecules such as ethanol vapor. Based on the coupling of the vapor-responsive PDMS film and triboelectric nanogenerator (TENG), a flexible actuator for object transport and a double-finger gripper for loading small objects are designed. The deformation and size change induced by vapor stimulation help these devices to adapt to the target objects of different sizes, while the electrostatic force provided by TENG can move or control the target object, for instance, the double-finger gripper can clamp an object of a weight of 6 g.

On the Interfacial Adhesion between TiO2 Nanotube Array Layer and Ti Substrate.

Anodic titania nanotube arrays (TNTAs) with higher aspect ratio are observed to be liable to spontaneous curling or delamination from the underlying titanium (Ti) metal once dried because of the poor interfacial adhesion of the TNTA layer to the underlying Ti, especially when a thin Ti sheet is used. The interfacial adhesion strength was shown to decrease with increasing thickness of the TNTA layer. In this work, although the preparation of TNTAs in a frequently used fluoride-containing solution was completed, different anodization processes were further performed at lower current densities or at lower voltages for a short time in the same electrolyte to increase the adhesion. The mechanical test demonstrated that better adhesion properties have been achieved by applying these anodization posttreatment processes. It is believed that during the fabrication of TNTAs, a large residual stress at the interface of the nanotube layer and the underlying Ti is created. It is the residual stress that leads to the weak interfacial adhesion. The anodization posttreatment processes can reduce or eliminate the residual stress, thereby improving the interfacial adhesion. Further, these processes can also boost the performances of TNTAs for supercapacitors. When the anodization posttreatment processes are implemented at 1 mA cm-2 or at 10 V for 5 min, considerable improvements in the interfacial adhesion are observed. Particularly, both posttreatment processes are also applicable to the very thin Ti sheet (∼18 μm). The realization of robust and adherent TNTAs grown on very thin Ti sheets can not only significantly improve the volumetric capacitances of TNTAs but also make TNTAs an attractive material in flexible supercapacitor applications.

Spontaneous curling of freestanding Janus monolayer transition-metal dichalcogenides.

In this paper, using molecular dynamics simulations we report spontaneous curling behaviors of freestanding Janus monolayer S-Mo-Se (MoSeS) structures. Density functional theory calculations are performed to obtain the phonon dispersion and phonon spectra of the Janus monolayer MoSeS for analyzing its structural stability. The results show that the Janus monolayer MoSeS is structurally stable. Due to the lattice mismatch between MoS and MoSe domains, the Janus monolayer MoSeS at the freestanding state always spontaneously rolls up in a constant temperature and pressure system. The direction of curling is preferred along the armchair orientation. Specifically, as for the Janus monolayer MoSeS whose size is larger than ∼30 nm, it can spontaneously roll up into a nanotube structure. The underlying physical mechanisms of these phenomena are well uncovered by using classical Timoshenko plate theory and the minimum energy principle.

A New Type of Photo-Thermo Staged-Responsive Shape-Memory Polyurethanes Network.

In this paper, we developed a photo-thermo staged-responsive shape-memory polymer network which has a unique ability of being spontaneously photo-responsive deformable and thermo-responsive shape recovery. This new type of shape-memory polyurethane network (A-SMPUs) was successfully synthesized with 4,4-azodibenzoic acid (Azoa), hexamethylenediisocyanate (HDI) and polycaprolactone (PCL), followed by chemical cross-linking with glycerol (Gl). The structures, morphology, and shape-memory properties of A-SMPUs have been carefully investigated. The results demonstrate that the A-SMPUs form micro-phase separation structures consisting of a semi-crystallized PCL soft phase and an Azoa amorphous hard phase that could influence the crystallinity of PCL soft phases. The chemical cross-linking provided a stable network and good thermal stability to the A-SMPUs. All A-SMPUs exhibited good triple-shape-memory properties with higher than 97% shape fixity ratio and 95% shape recovery ratio. Additionally, the A-SMPUs with higher Azoa content exhibited interesting photo-thermo two-staged responsiveness. A pre-processed film with orientated Azoa structure exhibited spontaneous curling deformation upon exposing to ultraviolet (UV) light, and curling deformation is constant even under Vis light. Finally, the curling deformation can spontaneously recover to the original shape by applying a thermal stimulus. This work demonstrates new synergistically multi-responsive SMPUs that will have many applications in smart science and technology.

Disc-type hyaline cartilage reconstruction using 3D-cell sheet culture of human bone marrow stromal cells and human costal chondrocytes and maintenance of its shape and phenotype after transplantation.

Supplementary material is available for this article at 10.1007/s13770-016-9065-6 and is accessible for authorized users.

Shape selection and multi-stability in helical ribbons

Helical structures, almost ubiquitous in biological systems, have inspired the design and manufacturing of helical devices with applications in nanoelecromechanical systems, morphing structures, optoelectronics, micro-robotics, and drug delivery devices. Meanwhile, multi-stable structures, represented by the Venus flytrap and slap bracelet, have attracted increasing attention due to their applications in making artificial muscles, bio-inspired robots, deployable aerospace components, and energy harvesting devices. Here we show that the mechanical anisotropy pertinent to helical deformation, together with geometric nonlinearity associated with multi-stability, can lead to a selection principle of the geometric shape and multi-stability in spontaneous helical ribbons. Simple table-top experiments were also performed to illustrate the working principle. Our work will promote understanding of spontaneous curling, twisting, wrinkling of thin objects, and their instabilities. The proposed theoretical framework can also serve as a tool for developing functional structures and devices featuring tunable, morphing geometries and smart actuation mechanisms that can be applied in a spectrum of areas.

Spontaneous Curling of Graphene Sheets with Reconstructed Edges

Recent microscopy experiments have revealed novel reconstructions of the commonly observed zigzag and armchair edges in graphene. We show that tensile edge stresses at these reconstructed edges lead to large-scale curling of graphene sheets into cylindrical surfaces, in contrast to the warping instabilities predicted for unreconstructed edges. Using atomic-scale simulations and large deformation plate models, we have derived scaling laws for the curvature and strain of the curled sheets in terms of the edge stress, shape, and the bending and stretching moduli. For graphene nanoribbons, we show that tensile edge stress leads to periodic ripples, whose morphologies are distinct from those observed due to thermal fluctuations or thermally generated mismatch strains. Since the electronic properties of graphene can be altered by both curvatures and strain, our work provides a route for potentially fabricating nanoelectronic devices such as sensors or switches that can detect stresses induced by dopants at the edges.

Microstructure and formation mechanism of cylindrical and conical scrolls of the misfit layer compounds PbNb nS 2 n+1

Under adequate growth conditions the mixed layer compounds (PbS) 1+ x (NbS 2) n and (BiS) 1+ x (NbS 2) n are shown to crystallize from the vapour phase partly as hollow cylindrical scrolls, which can be either chiral or achiral. Also conically would scrolls are formed. The observations of the growth nuclei suggests a formation and growth mechanism based on the spontaneous curling up of thin triangular flakes as a consequence of the lattice parameter difference between the constituent lamellae of the mixed layer compounds. Morphological observations are supported by electron diffraction patterns, which are interpreted in terms of the reciprocal space of conically wound fibres, first presented here and developed in detail in Ref. [20] [S. Amelinckx et al., Acta Cryst., submitted]. The scroll nature of rolled microstructures allows for the formation of long and complicated periodic sequences of orientation variants.